Found 33 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3450
(1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-4-27-24(34)32-22-17(20-18(25)10-9-11-19(20)26)14-16-15-29-23(31-21(16)30-22)28-12-7-8-13-33(5-2)6-3/h9-11,14-15H,4-8,12-13H2,1-3H3,(H3,27,28,29,30,31,32,34) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3465
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3451
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50059137
(1-[2-Amino-6-(2,6-dichloro-phenyl)-pyrido[2,3-d]py...)Show SMILES CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(11.21,-14.15,;9.87,-13.38,;8.54,-14.16,;7.19,-13.39,;5.86,-14.17,;7.19,-11.85,;5.86,-11.09,;4.53,-11.86,;3.18,-11.09,;1.85,-11.88,;.52,-11.11,;-.82,-11.88,;.52,-9.57,;1.85,-8.78,;3.18,-9.55,;4.51,-8.78,;5.84,-9.54,;7.17,-8.76,;7.16,-7.23,;5.82,-6.47,;8.48,-6.45,;9.83,-7.22,;9.83,-8.76,;8.5,-9.53,;8.52,-11.07,)| Show InChI InChI=1S/C16H14Cl2N6O/c1-2-20-16(25)24-14-9(12-10(17)4-3-5-11(12)18)6-8-7-21-15(19)23-13(8)22-14/h3-7H,2H2,1H3,(H4,19,20,21,22,23,24,25) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3433
(1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyri...)Show SMILES Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)| Show InChI InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3465
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3428
(1-[2-amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyri...)Show SMILES CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C18H18Cl2N6O/c1-18(2,3)26-17(27)25-15-10(13-11(19)5-4-6-12(13)20)7-9-8-22-16(21)24-14(9)23-15/h4-8H,1-3H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3451
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3428
(1-[2-amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyri...)Show SMILES CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C18H18Cl2N6O/c1-18(2,3)26-17(27)25-15-10(13-11(19)5-4-6-12(13)20)7-9-8-22-16(21)24-14(9)23-15/h4-8H,1-3H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3433
(1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyri...)Show SMILES Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)| Show InChI InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3450
(1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-4-27-24(34)32-22-17(20-18(25)10-9-11-19(20)26)14-16-15-29-23(31-21(16)30-22)28-12-7-8-13-33(5-2)6-3/h9-11,14-15H,4-8,12-13H2,1-3H3,(H3,27,28,29,30,31,32,34) | PDB
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| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50059137
(1-[2-Amino-6-(2,6-dichloro-phenyl)-pyrido[2,3-d]py...)Show SMILES CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(11.21,-14.15,;9.87,-13.38,;8.54,-14.16,;7.19,-13.39,;5.86,-14.17,;7.19,-11.85,;5.86,-11.09,;4.53,-11.86,;3.18,-11.09,;1.85,-11.88,;.52,-11.11,;-.82,-11.88,;.52,-9.57,;1.85,-8.78,;3.18,-9.55,;4.51,-8.78,;5.84,-9.54,;7.17,-8.76,;7.16,-7.23,;5.82,-6.47,;8.48,-6.45,;9.83,-7.22,;9.83,-8.76,;8.5,-9.53,;8.52,-11.07,)| Show InChI InChI=1S/C16H14Cl2N6O/c1-2-20-16(25)24-14-9(12-10(17)4-3-5-11(12)18)6-8-7-21-15(19)23-13(8)22-14/h3-7H,2H2,1H3,(H4,19,20,21,22,23,24,25) | PDB
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| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50059138
(1-tert-Butyl-3-[2-[3-(4-methyl-piperazin-1-yl)-pro...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(C)c(C)cc(C)c2C)CC1 |(.21,-11.63,;1.55,-10.86,;1.55,-9.32,;2.88,-8.56,;4.21,-9.33,;5.54,-8.56,;5.55,-7.02,;6.88,-6.25,;6.88,-4.71,;8.22,-3.94,;8.22,-2.4,;9.55,-1.62,;10.88,-2.39,;12.21,-1.62,;13.54,-2.38,;13.56,-3.93,;14.89,-4.69,;14.89,-6.23,;13.56,-7.01,;16.24,-7,;17.57,-6.21,;18.91,-6.98,;17.55,-4.67,;17.97,-7.71,;12.23,-4.7,;10.88,-3.93,;9.55,-4.71,;14.87,-1.59,;14.86,-.05,;13.52,.69,;16.18,.72,;16.17,2.26,;17.53,-.05,;17.53,-1.59,;18.88,-2.36,;16.2,-2.36,;16.22,-3.9,;4.21,-10.87,;2.88,-11.64,)| Show InChI InChI=1S/C30H44N8O/c1-19-16-20(2)22(4)25(21(19)3)24-17-23-18-32-28(31-10-9-11-38-14-12-37(8)13-15-38)34-26(23)33-27(24)35-29(39)36-30(5,6)7/h16-18H,9-15H2,1-8H3,(H3,31,32,33,34,35,36,39) | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4823
(1-{2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl}-3-...)Show InChI InChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25) | PDB
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| n/a | n/a | 5.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB
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| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3441
(1-[2-amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3...)Show SMILES Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)| Show InChI InChI=1S/C22H28N6O/c1-11-8-12(2)14(4)17(13(11)3)16-9-15-10-24-20(23)26-18(15)25-19(16)27-21(29)28-22(5,6)7/h8-10H,1-7H3,(H4,23,24,25,26,27,28,29) | PDB
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| n/a | n/a | 6.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50059138
(1-tert-Butyl-3-[2-[3-(4-methyl-piperazin-1-yl)-pro...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(C)c(C)cc(C)c2C)CC1 |(.21,-11.63,;1.55,-10.86,;1.55,-9.32,;2.88,-8.56,;4.21,-9.33,;5.54,-8.56,;5.55,-7.02,;6.88,-6.25,;6.88,-4.71,;8.22,-3.94,;8.22,-2.4,;9.55,-1.62,;10.88,-2.39,;12.21,-1.62,;13.54,-2.38,;13.56,-3.93,;14.89,-4.69,;14.89,-6.23,;13.56,-7.01,;16.24,-7,;17.57,-6.21,;18.91,-6.98,;17.55,-4.67,;17.97,-7.71,;12.23,-4.7,;10.88,-3.93,;9.55,-4.71,;14.87,-1.59,;14.86,-.05,;13.52,.69,;16.18,.72,;16.17,2.26,;17.53,-.05,;17.53,-1.59,;18.88,-2.36,;16.2,-2.36,;16.22,-3.9,;4.21,-10.87,;2.88,-11.64,)| Show InChI InChI=1S/C30H44N8O/c1-19-16-20(2)22(4)25(21(19)3)24-17-23-18-32-28(31-10-9-11-38-14-12-37(8)13-15-38)34-26(23)33-27(24)35-29(39)36-30(5,6)7/h16-18H,9-15H2,1-8H3,(H3,31,32,33,34,35,36,39) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3443
(1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyr...)Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3441
(1-[2-amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3...)Show SMILES Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)| Show InChI InChI=1S/C22H28N6O/c1-11-8-12(2)14(4)17(13(11)3)16-9-15-10-24-20(23)26-18(15)25-19(16)27-21(29)28-22(5,6)7/h8-10H,1-7H3,(H4,23,24,25,26,27,28,29) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3465
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(4-me...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-14.57,-.92,;-13.24,-.15,;-13.24,1.39,;-11.91,2.16,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.34,-1.61,;4.05,-2.15,;5.47,-1.56,;6.69,-2.5,;6.96,-1.16,;4.98,-.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-10.57,-.15,;-11.91,-.92,)| Show InChI InChI=1S/C26H34Cl2N8O/c1-26(2,3)34-25(37)33-23-18(21-19(27)7-5-8-20(21)28)15-17-16-30-24(32-22(17)31-23)29-9-6-10-36-13-11-35(4)12-14-36/h5,7-8,15-16H,6,9-14H2,1-4H3,(H3,29,30,31,32,33,34,37) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4823
(1-{2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl}-3-...)Show InChI InChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50059137
(1-[2-Amino-6-(2,6-dichloro-phenyl)-pyrido[2,3-d]py...)Show SMILES CCNC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(11.21,-14.15,;9.87,-13.38,;8.54,-14.16,;7.19,-13.39,;5.86,-14.17,;7.19,-11.85,;5.86,-11.09,;4.53,-11.86,;3.18,-11.09,;1.85,-11.88,;.52,-11.11,;-.82,-11.88,;.52,-9.57,;1.85,-8.78,;3.18,-9.55,;4.51,-8.78,;5.84,-9.54,;7.17,-8.76,;7.16,-7.23,;5.82,-6.47,;8.48,-6.45,;9.83,-7.22,;9.83,-8.76,;8.5,-9.53,;8.52,-11.07,)| Show InChI InChI=1S/C16H14Cl2N6O/c1-2-20-16(25)24-14-9(12-10(17)4-3-5-11(12)18)6-8-7-21-15(19)23-13(8)22-14/h3-7H,2H2,1H3,(H4,19,20,21,22,23,24,25) | PDB
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| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3431
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diet...)Show SMILES CCN(CC)CCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.7,2.41,;-12.93,1.08,;-11.44,.68,;-11.24,-.85,;-9.82,-1.44,;-10.11,1.45,;-8.78,.68,;-7.44,1.45,;-6.11,.68,;-4.78,1.45,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,;-.77,.68,;-2.11,1.45,;-3.44,.68,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C25H33Cl2N7O/c1-6-34(7-2)13-9-12-28-23-29-15-16-14-17(20-18(26)10-8-11-19(20)27)22(30-21(16)31-23)32-24(35)33-25(3,4)5/h8,10-11,14-15H,6-7,9,12-13H2,1-5H3,(H3,28,29,30,31,32,33,35) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3428
(1-[2-amino-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyri...)Show SMILES CC(C)(C)NC(=O)Nc1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |(4.56,-3.94,;3.23,-3.17,;1.89,-3.94,;3.23,-4.71,;3.23,-1.63,;1.89,-.86,;.56,-1.63,;1.89,.68,;.56,1.45,;-.77,.68,;-2.11,1.45,;-3.44,.68,;-4.78,1.45,;-6.11,.68,;-4.78,2.99,;-3.44,3.76,;-2.11,2.99,;-.77,3.76,;.56,2.99,;1.89,3.76,;1.89,5.3,;.56,6.07,;3.23,6.07,;4.56,5.3,;4.56,3.76,;3.23,2.99,;3.23,1.45,)| Show InChI InChI=1S/C18H18Cl2N6O/c1-18(2,3)26-17(27)25-15-10(13-11(19)5-4-6-12(13)20)7-9-8-22-16(21)24-14(9)23-15/h4-8H,1-3H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3450
(1-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCNC(=O)Nc1nc2nc(NCCCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl |(5.49,-4.29,;4.16,-3.52,;4.16,-1.98,;2.83,-1.21,;1.49,-1.98,;2.83,.33,;1.49,1.1,;.16,.33,;-1.17,1.1,;-2.51,.33,;-3.84,1.1,;-5.18,.33,;-6.51,1.1,;-8,.7,;-9.09,1.79,;-10.57,1.39,;-11.66,2.48,;-13.15,2.08,;-13.55,.59,;-11.26,3.96,;-9.78,4.36,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C24H31Cl2N7O/c1-4-27-24(34)32-22-17(20-18(25)10-9-11-19(20)26)14-16-15-29-23(31-21(16)30-22)28-12-7-8-13-33(5-2)6-3/h9-11,14-15H,4-8,12-13H2,1-3H3,(H3,27,28,29,30,31,32,34) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM3443
(1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyr...)Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of Epidermal growth factor receptor (EGFr) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3443
(1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyr...)Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of C-src tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3441
(1-[2-amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3...)Show SMILES Cc1cc(C)c(C)c(c1C)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(4.16,7.26,;4.16,5.72,;5.49,4.95,;5.49,3.41,;6.83,2.64,;4.16,2.64,;4.16,1.1,;2.83,3.41,;2.83,4.95,;1.49,5.72,;1.49,2.64,;.16,3.41,;-1.17,2.64,;-2.51,3.41,;-3.84,2.64,;-3.84,1.1,;-5.18,.33,;-2.51,.33,;-1.17,1.1,;.16,.33,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.67,-3.92,;5.49,-4.29,;4.16,-5.06,)| Show InChI InChI=1S/C22H28N6O/c1-11-8-12(2)14(4)17(13(11)3)16-9-15-10-24-20(23)26-18(15)25-19(16)27-21(29)28-22(5,6)7/h8-10H,1-7H3,(H4,23,24,25,26,27,28,29) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3433
(1-[2-amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyri...)Show SMILES Cc1cccc(C)c1-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C |(3.23,1.45,;3.23,2.99,;4.56,3.76,;4.56,5.3,;3.23,6.07,;1.89,5.3,;.56,6.07,;1.89,3.76,;.56,2.99,;-.77,3.76,;-2.11,2.99,;-3.44,3.76,;-4.78,2.99,;-4.78,1.45,;-6.11,.68,;-3.44,.68,;-2.11,1.45,;-.77,.68,;.56,1.45,;1.89,.68,;1.89,-.86,;.56,-1.63,;3.23,-1.63,;4.56,-.86,;5.89,-1.63,;4.56,.68,;5.89,-.09,)| Show InChI InChI=1S/C20H24N6O/c1-11-7-6-8-12(2)15(11)14-9-13-10-22-18(21)24-16(13)23-17(14)25-19(27)26-20(3,4)5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50059138
(1-tert-Butyl-3-[2-[3-(4-methyl-piperazin-1-yl)-pro...)Show SMILES CN1CCN(CCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(C)c(C)cc(C)c2C)CC1 |(.21,-11.63,;1.55,-10.86,;1.55,-9.32,;2.88,-8.56,;4.21,-9.33,;5.54,-8.56,;5.55,-7.02,;6.88,-6.25,;6.88,-4.71,;8.22,-3.94,;8.22,-2.4,;9.55,-1.62,;10.88,-2.39,;12.21,-1.62,;13.54,-2.38,;13.56,-3.93,;14.89,-4.69,;14.89,-6.23,;13.56,-7.01,;16.24,-7,;17.57,-6.21,;18.91,-6.98,;17.55,-4.67,;17.97,-7.71,;12.23,-4.7,;10.88,-3.93,;9.55,-4.71,;14.87,-1.59,;14.86,-.05,;13.52,.69,;16.18,.72,;16.17,2.26,;17.53,-.05,;17.53,-1.59,;18.88,-2.36,;16.2,-2.36,;16.22,-3.9,;4.21,-10.87,;2.88,-11.64,)| Show InChI InChI=1S/C30H44N8O/c1-19-16-20(2)22(4)25(21(19)3)24-17-23-18-32-28(31-10-9-11-38-14-12-37(8)13-15-38)34-26(23)33-27(24)35-29(39)36-30(5,6)7/h16-18H,9-15H2,1-8H3,(H3,31,32,33,34,35,36,39) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM3451
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM4823
(1-{2-amino-6-phenylpyrido[2,3-d]pyrimidin-7-yl}-3-...)Show InChI InChI=1S/C18H20N6O/c1-18(2,3)24-17(25)23-15-13(11-7-5-4-6-8-11)9-12-10-20-16(19)22-14(12)21-15/h4-10H,1-3H3,(H4,19,20,21,22,23,24,25) | PDB
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Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Inhibition of insulin receptor (InsR) tyrosine kinase |
J Med Chem 40: 2296-303 (1997)
Article DOI: 10.1021/jm970367n
BindingDB Entry DOI: 10.7270/Q2Z31XRR |
More data for this
Ligand-Target Pair | |
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